| XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification CA Smith, EJ Want, G O'Maille, R Abagyan, G Siuzdak Analytical chemistry 78 (3), 779-787, 2006 | 3306 | 2006 |
| Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists B Wu, EYT Chien, CD Mol, G Fenalti, W Liu, V Katritch, R Abagyan, ... Science 330 (6007), 1066-1071, 2010 | 1790 | 2010 |
| METLIN: a metabolite mass spectral database CA Smith, G O'Maille, EJ Want, C Qin, SA Trauger, TR Brandon, ... Therapeutic drug monitoring 27 (6), 747-751, 2005 | 1777 | 2005 |
| ICM—a new method for protein modeling and design: applications to docking and structure prediction from the distorted native conformation R Abagyan, M Totrov, D Kuznetsov Journal of computational chemistry 15 (5), 488-506, 1994 | 1659 | 1994 |
| Sirtuin 2 inhibitors rescue α-synuclein-mediated toxicity in models of Parkinson's disease TF Outeiro, E Kontopoulos, SM Altmann, I Kufareva, KE Strathearn, ... science 317 (5837), 516-519, 2007 | 1004 | 2007 |
| Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins R Abagyan, M Totrov Journal of molecular biology 235 (3), 983-1002, 1994 | 999 | 1994 |
| Structure of the human histamine H 1 receptor complex with doxepin T Shimamura, M Shiroishi, S Weyand, H Tsujimoto, G Winter, V Katritch, ... Nature 475 (7354), 65-70, 2011 | 782 | 2011 |
| Virtual ligand screening of the p300/CBP histone acetyltransferase: identification of a selective small molecule inhibitor EM Bowers, G Yan, C Mukherjee, A Orry, L Wang, MA Holbert, NT Crump, ... Chemistry & biology 17 (5), 471-482, 2010 | 519 | 2010 |
| Flexible ligand docking to multiple receptor conformations: a practical alternative M Totrov, R Abagyan Current opinion in structural biology 18 (2), 178-184, 2008 | 500 | 2008 |
| Flexible protein–ligand docking by global energy optimization in internal coordinates M Totrov, R Abagyan Proteins: Structure, Function, and Bioinformatics 29 (S1), 215-220, 1997 | 487 | 1997 |
| Protein flexibility in ligand docking and virtual screening to protein kinases CN Cavasotto, RA Abagyan Journal of molecular biology 337 (1), 209-225, 2004 | 456 | 2004 |
| High-throughput docking for lead generation R Abagyan, M Totrov Current opinion in chemical biology 5 (4), 375-382, 2001 | 452 | 2001 |
| Comparative study of several algorithms for flexible ligand docking BD Bursulaya, M Totrov, R Abagyan, CL Brooks Journal of computer-aided molecular design 17 (11), 755-763, 2003 | 418 | 2003 |
| Pocketome via comprehensive identification and classification of ligand binding envelopes J An, M Totrov, R Abagyan Molecular & Cellular Proteomics 4 (6), 752-761, 2005 | 413 | 2005 |
| Identification and analysis of PH domain‐containing targets of phosphatidylinositol 3‐kinase using a novel in vivo assay in yeast SJ Isakoff, T Cardozo, J Andreev, Z Li, KM Ferguson, R Abagyan, ... The EMBO journal 17 (18), 5374-5387, 1998 | 383 | 1998 |
| Conserved Binding Mode of Human β2 Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography D Wacker, G Fenalti, MA Brown, V Katritch, R Abagyan, V Cherezov, ... Journal of the American Chemical Society 132 (33), 11443-11445, 2010 | 353 | 2010 |
| Representing receptor flexibility in ligand docking through relevant normal modes CN Cavasotto, JA Kovacs, RA Abagyan Journal of the American Chemical Society 127 (26), 9632-9640, 2005 | 324 | 2005 |
| Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment I Kufareva, M Rueda, V Katritch, G Dock, RC Stevens, R Abagyan Structure 19 (8), 1108-1126, 2011 | 310 | 2011 |
| Novel anchorage of GluR2/3 to the postsynaptic density by the AMPA receptor–binding protein ABP S Srivastava, P Osten, FS Vilim, L Khatri, G Inman, B States, C Daly, ... Neuron 21 (3), 581-591, 1998 | 307 | 1998 |
| The hydration of globular proteins as derived from volume and compressibility measurements: cross correlating thermodynamic and structural data TV Chalikian, M Totrov, R Abagyan, KJ Breslauer Journal of molecular biology 260 (4), 588-603, 1996 | 305 | 1996 |
